N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1-methyl-3-pyrazolyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1-methylpyrazol-3-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1-methylpyrazol-3-yl)-4-(methylthio)-3-nitro-benzamide Formula: C12H12N4O3S MolecularWeight: 292.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-15-6-5-11(14-15)13-12(17)8-3-4-10(20-2)9(7-8)16(18)19/h3-7H,1-2H3,(H,13,14,17)